| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:25 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | O=C1CCC(C(=O)C(O)Cc2ccccc2)O1 |
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| InChI Key | FNAMSUUJXJQDRB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsbenzene and substituted derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietyalpha-acyloxy ketonearomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesacyloincarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganoheterocyclic compound |
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